General Characteristics
2D structure
NatID 227
Common Name Rubiadin
Molecular Formula C15H10O4
Chemical Class Anthracenes > Anthraquinones
Molecular Weight 254.058 g/mol
Other names

 

Representations
Smiles Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O
Inchi InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3
Inchi Key IRZTUXPRIUZXMP-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.18
TPSA 74.60
HBD 2
HBA 4
Rotatable Bonds 0
Aromatic Rings 2
Heavy Atoms 19
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9683 Heterophyllaea pustulata No Very High Núñez Montoya, S. C., Agnese, A. M., & Cabrera, J. L. (2006). Anthraquinone Derivatives from Heterophyllaea pustulata. Journal of Natural Products, 69(5), 801–803. https://doi.org/10.1021/np050181o

 

Bioassay ID NPASS ID Target Activity type Activity